apelin-36   Click here for help

GtoPdb Ligand ID: 3555

Comment: Rat and mouse sequences are identical
Species: Mouse, Rat
2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)Cc1ccccc1)CCSC)CCCCN)Cc1nc[nH]c1)CO)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)Cc1ccccc1)NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C(C)C)NC(=O)C(CC(C)C)N)CCCCN)CCCN=C(N)N)CO)CCCN=C(N)N)C)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N
Isomeric SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChI InChI=1S/C185H304N68O43S/c1-98(2)82-109(189)148(266)246-144(100(5)6)172(290)238-122(46-21-24-67-188)174(292)251-78-35-58-135(251)169(287)235-119(53-31-74-215-184(204)205)159(277)248-146(103(9)257)173(291)245-131(96-255)164(282)231-118(52-30-73-214-183(202)203)158(276)247-145(102(8)256)171(289)222-94-143(264)249-76-33-55-132(249)166(284)220-92-140(261)224-101(7)147(265)239-127(86-106-88-217-110-43-18-17-42-108(106)110)162(280)232-120(60-62-137(190)258)150(268)219-90-139(260)218-91-141(262)225-112(47-25-68-209-178(192)193)151(269)228-114(48-26-69-210-179(194)195)152(270)227-113(45-20-23-66-187)155(273)241-126(84-104-38-13-11-14-39-104)161(279)230-116(50-28-71-212-181(198)199)153(271)229-115(49-27-70-211-180(196)197)154(272)233-121(61-63-138(191)259)157(275)236-123(54-32-75-216-185(206)207)175(293)252-79-36-57-134(252)168(286)234-117(51-29-72-213-182(200)201)156(274)240-125(83-99(3)4)160(278)244-130(95-254)165(283)242-128(87-107-89-208-97-223-107)163(281)226-111(44-19-22-65-186)149(267)221-93-142(263)250-77-34-56-133(250)167(285)237-124(64-81-297-10)176(294)253-80-37-59-136(253)170(288)243-129(177(295)296)85-105-40-15-12-16-41-105/h11-18,38-43,88-89,97-103,109,111-136,144-146,217,254-257H,19-37,44-87,90-96,186-189H2,1-10H3,(H2,190,258)(H2,191,259)(H,208,223)(H,218,260)(H,219,268)(H,220,284)(H,221,267)(H,222,289)(H,224,261)(H,225,262)(H,226,281)(H,227,270)(H,228,269)(H,229,271)(H,230,279)(H,231,282)(H,232,280)(H,233,272)(H,234,286)(H,235,287)(H,236,275)(H,237,285)(H,238,290)(H,239,265)(H,240,274)(H,241,273)(H,242,283)(H,243,288)(H,244,278)(H,245,291)(H,246,266)(H,247,276)(H,248,277)(H,295,296)(H4,192,193,209)(H4,194,195,210)(H4,196,197,211)(H4,198,199,212)(H4,200,201,213)(H4,202,203,214)(H4,204,205,215)(H4,206,207,216)/t101-,102+,103+,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,144-,145-,146-/m0/s1
InChI Key NRXGOOSANFUBIE-ZINMNJNTSA-N
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
Apln apelin Mouse prepro-apelin -
Apln apelin Rat prepro-apelin Apel, apelin, AGTRL1 ligand, APJ endogenous ligand
Database Links Click here for help
Ensembl Gene ENSMUSG00000037010 (Mm), ENSRNOG00000003984 (Rn)
GtoPdb PubChem SID 135651623
Search Google for chemical match using the InChIKey NRXGOOSANFUBIE-ZINMNJNTSA-N
Search Google for chemicals with the same backbone NRXGOOSANFUBIE
UniChem Compound Search for chemical match using the InChIKey NRXGOOSANFUBIE-ZINMNJNTSA-N
UniChem Connectivity Search for chemical match using the InChIKey NRXGOOSANFUBIE-ZINMNJNTSA-N
UniProtKB Q9R0R3 (Rn), Q9R0R4 (Mm)